5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-amine

C12H20N2O — CID 174368806

IUPAC5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-amine
SMILESCN1CCC(OC2=CC(N)=CCC2)CC1
InChIInChI=1S/C12H20N2O/c1-14-7-5-11(6-8-14)15-12-4-2-3-10(13)9-12/h3,9,11H,2,4-8,13H2,1H3
InChIKeyIDMVTJXELWPQRK-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.62
Rot. Bonds2

About 5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-amine

5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-amine (PubChem CID 174368806) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-amine
PubChem CID174368806
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-amine
SMILESCN1CCC(OC2=CC(N)=CCC2)CC1
InChIInChI=1S/C12H20N2O/c1-14-7-5-11(6-8-14)15-12-4-2-3-10(13)9-12/h3,9,11H,2,4-8,13H2,1H3
InChIKeyIDMVTJXELWPQRK-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-amine (CID 174368806) is 5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-amine is CN1CCC(OC2=CC(N)=CCC2)CC1.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-amine?
The InChIKey is IDMVTJXELWPQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14-7-5-11(6-8-14)15-12-4-2-3-10(13)9-12/h3,9,11H,2,4-8,13H2,1H3.
What are the key properties of 5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-amine?
5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-amine has a molecular weight of 208.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 174368806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).